1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea

C15H18N4O2 — CID 51083645

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H18N4O2/c20-15(17-6-8-19-7-5-16-11-19)18-10-13-9-12-3-1-2-4-14(12)21-13/h1-5,7,11,13H,6,8-10H2,(H2,17,18,20)
InChIKeyKGUSIUPOBOQMFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.19
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea (PubChem CID 51083645) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea
PubChem CID51083645
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea
SMILESO=C(NCCn1ccnc1)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H18N4O2/c20-15(17-6-8-19-7-5-16-11-19)18-10-13-9-12-3-1-2-4-14(12)21-13/h1-5,7,11,13H,6,8-10H2,(H2,17,18,20)
InChIKeyKGUSIUPOBOQMFI-UHFFFAOYSA-N
XLogP1.19
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 51078485
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111949114
1-[3-(benzimidazol-1-yl)propyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55740162
(2S)-4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839616
4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839615
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 94181052
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090066
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea
CID 86870911
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]urea
CID 51115364
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea (CID 51083645) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea is O=C(NCCn1ccnc1)NCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea?
The InChIKey is KGUSIUPOBOQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(17-6-8-19-7-5-16-11-19)18-10-13-9-12-3-1-2-4-14(12)21-13/h1-5,7,11,13H,6,8-10H2,(H2,17,18,20).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea has a molecular weight of 286.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-imidazol-1-ylethyl)urea is sourced from PubChem (CID 51083645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).